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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titleMultinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N '-(aryl)-benzamidinespt_BR
dc.contributor.authorSuwinski, Jpt_BR
dc.contributor.authorSzczepankiewicz, Wpt_BR
dc.contributor.authorBasso, EApt_BR
dc.contributor.authorTormena, CFpt_BR
dc.contributor.authorFreitas, MPpt_BR
dc.contributor.authorRittner, Rpt_BR
unicamp.authorUniv Estadual Campinas, Inst Quim, BR-13084971 Campinas, SP, Brazil Univ Estadual Maringa, Dept Quim, BR-87020900 Maringa, Parana, Brazil Silesian Tech Univ, Inst Organ Chem & Technol, PL-44100 Gliwice, Polandpt_BR
dc.subjectNMRpt_BR
dc.subjectH-1pt_BR
dc.subjectC-13pt_BR
dc.subjectN-15pt_BR
dc.subjectN '-arylbenzamidinespt_BR
dc.subjecttautomerismpt_BR
dc.subjectconfigurationpt_BR
dc.subject.wosChemical-shiftspt_BR
dc.subject.wosC-npt_BR
dc.subject.wosAmidinespt_BR
dc.subject.wosNmrpt_BR
dc.subject.wosSystemspt_BR
dc.subject.wosH-1pt_BR
dc.description.abstractH-1, C-13 and N-15 NMR spectra of eight 2-amino-N'-(aryl)-benzamidines and of the parent compound were recorded, and unequivocal chemical shift assignments through the use of COSY, H-1-J resolved, HETCOR and COLOC sequences were performed. H-1 and C-13 chemical shifts for the nuclei of the benzamidine aromatic ring were not affected by the substituents present at N'-phenyl group, while the substituent effects in the chemical shifts of the same nuclei of N'-phenyl ring were very similar to the ones reported for the corresponding monosubstituted benzenes, indicating that there is no interaction between the two aromatic rings. N-15 NMR spectra (DEPT sequence) show just two hydrogenated nitrogen atoms, which confirm that the amino form is the most stable tautomer, but the observation of a sharp signal and two broad signals (N-15 decoupled spectra), and the corresponding broad signal for the =C-NH2 protons (in the H-1 spectra), indicates the occurrence of tautomerism between the amino and imino forms, observable for some of the studied benzamidines. Theoretical calculations lead to the conclusion that these compounds occur mostly as the amino tautomer with Z configuration, which is stabilized by hydrogen bonding. (C) 2003 Elsevier Science B.V. All rights reserved.pt
dc.relation.ispartofSpectrochimica Acta Part A-molecular And Biomolecular Spectroscopypt_BR
dc.relation.ispartofabbreviationSpectroc. Acta Pt. A-Molec. Biomolec. Spectr.pt_BR
dc.publisher.cityOxfordpt_BR
dc.publisher.countryInglaterrapt_BR
dc.publisherPergamon-elsevier Science Ltdpt_BR
dc.date.issued2003pt_BR
dc.date.monthofcirculationNOVpt_BR
dc.identifier.citationSpectrochimica Acta Part A-molecular And Biomolecular Spectroscopy. Pergamon-elsevier Science Ltd, v. 59, n. 13, n. 3139, n. 3145, 2003.pt_BR
dc.language.isoenpt_BR
dc.description.volume59pt_BR
dc.description.issuenumber13pt_BR
dc.description.firstpage3139pt_BR
dc.description.lastpage3145pt_BR
dc.rightsfechadopt_BR
dc.rights.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policypt_BR
dc.sourceWeb of Sciencept_BR
dc.identifier.issn1386-1425pt_BR
dc.identifier.wosidWOS:000186551000023pt_BR
dc.identifier.doi10.1016/S1386-1425(03)00124-0pt_BR
dc.date.available2014-11-14T06:52:24Z
dc.date.available2015-11-26T17:13:35Z-
dc.date.accessioned2014-11-14T06:52:24Z
dc.date.accessioned2015-11-26T17:13:35Z-
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dc.description.provenanceMade available in DSpace on 2015-11-26T17:13:35Z (GMT). No. of bitstreams: 2 WOS000186551000023.pdf: 241508 bytes, checksum: 977af457e7dafac3aded34a183533ad1 (MD5) WOS000186551000023.pdf.txt: 21929 bytes, checksum: 73d55b1ebc48866819fe7bb9726cc507 (MD5) Previous issue date: 2003en
dc.identifier.urihttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/82168pt_BR
dc.identifier.urihttp://www.repositorio.unicamp.br/handle/REPOSIP/82168
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/82168-
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